SCHEMBL13933867

SCHEMBL13933867

O=C(CC(O)c1ccc2ccccc2c1)Nc1ccccc1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ KDM4E B2RXH2 8/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HCAR2 Q8TDS4 3/20 0.46
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ LMNA P02545 3/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14349712 0.86 KMT2A (0.60) HPGDMEN1CASP3KMT2ASENP8
SCHEMBL13954049 0.84 SMN1; SMN2 (0.50) ALDH1A1MEN1CASP3KMT2ASENP8
SCHEMBL13933871 0.82 ALDH1A1 (0.42) ALDH1A1NPSR1HPGDHTTMEN1
SCHEMBL14349899 0.81 KDM4E (0.53) ALDH1A1NPSR1HPGDHTTCASP3
SCHEMBL13933869 0.79 ALDH1A1 (0.57) ALDH1A1NPSR1HPGDHTTMEN1
SCHEMBL6784915 0.75 KMT2A (0.57) ALDH1A1MEN1CASP3KMT2ASENP8
SCHEMBL7315505 0.73 ALDH1A1 (0.61) ALDH1A1NPSR1HPGDHTTKMT2A
SCHEMBL6781577 0.73 KMT2A (0.58) HPGDMEN1CASP3KMT2ASENP8
SCHEMBL14349807 0.73 ALDH1A1 (0.49) ALDH1A1NPSR1HPGDHTTMEN1
SCHEMBL14340936 0.73 ALDH1A1 (0.57) ALDH1A1NPSR1HPGDHTTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-02-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 ALDH1A1 1145/4885NPSR1 43/4885HPGD 149/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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